GRASP: A general-purpose relativistic atomic structure program

Published: 1 January 1989| Version 1 | DOI: 10.17632/38vdyyfmy2.1
K.G. Dyall, I.P. Grant, C.T. Johnson, F.A. Parpia, E.P. Plummer


Abstract The Oxford MCP/MCDF and MCBP/BENA packages have been rewritten in FORTRAN 77 and combined in the new code, GRASP. This is more versatile than its predecessors, contains more stable and accurate numerical procedures and a simplified but more flexible interface. Array dimensions and installation-dependent parameters may be set by the user. All known errors in previous versions have been eliminated. A comprehensive user's manual is now provided as supplementary documentation. ... Title of program: GRASP Catalogue Id: ABJN_v1_0 Nature of problem Calculation of atomic energy levels, orbitals, and radiative transition data within the relativistic formalism. Versions of this program held in the CPC repository in Mendeley Data ABJN_v1_0; GRASP; 10.1016/0010-4655(89)90136-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Atomic Physics, Computational Physics